2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol

C13H27N3O2 — CID 90742652

IUPAC2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol
SMILESCN1CCN(COC(CO)N2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2/c1-14-7-9-15(10-8-14)12-18-13(11-17)16-5-3-2-4-6-16/h13,17H,2-12H2,1H3
InChIKeyWNMVTQRFGVIBEP-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.01
Rot. Bonds5

About 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol

2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol (PubChem CID 90742652) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol
PubChem CID90742652
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol
SMILESCN1CCN(COC(CO)N2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2/c1-14-7-9-15(10-8-14)12-18-13(11-17)16-5-3-2-4-6-16/h13,17H,2-12H2,1H3
InChIKeyWNMVTQRFGVIBEP-UHFFFAOYSA-N
XLogP0.01
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol (CID 90742652) is 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol is CN1CCN(COC(CO)N2CCCCC2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol?
The InChIKey is WNMVTQRFGVIBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-14-7-9-15(10-8-14)12-18-13(11-17)16-5-3-2-4-6-16/h13,17H,2-12H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol?
2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol has a molecular weight of 257.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol is sourced from PubChem (CID 90742652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).